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Home Nitriles 2-(4-Methoxy-1H-indol-3-yl)acetonitrile

2-(4-Methoxy-1H-indol-3-yl)acetonitrile

CAS No.:
4837-74-5
Catalog Number:
AG006WU2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
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Product Description
Catalog Number:
AG006WU2
Chemical Name:
2-(4-Methoxy-1H-indol-3-yl)acetonitrile
CAS Number:
4837-74-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
2-(4-methoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
InChI Key:
DHOVDDVYXBMXDM-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(OC)ccc2
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Anti-inflammatory effects of 7-hydroxyl-1-methylindole-3-acetonitrile, a synthetic arvelexin derivative, on the macrophages through destabilizing mPGES-1 mRNA and suppressing NF-κB activation. Chemico-biological interactions 20141205
Alkaloids from the root of Isatis indigotica. Journal of natural products 20120622
2-(4-Meth-oxy-1H-indol-3-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20120101
Properties